Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-3.0387 -5.3965 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9853 -4.6072 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7735 -4.0059 -1.4807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7661 -2.5900 -1.4673 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8307 -1.8507 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0328 -2.5653 -0.0623 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8595 -0.3695 -0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4096 0.1960 -1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6314 -0.1115 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7555 -0.8331 0.4999 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8170 0.4811 -0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0426 0.2262 -0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1320 0.9872 -0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8041 1.8803 -0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1349 0.1337 0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1618 1.6038 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0809 2.2462 0.7409 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3526 2.2995 0.7394 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3792 3.7050 0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8415 4.2510 2.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3856 3.5496 3.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8907 0.0985 -1.5563 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2711 -5.8802 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7481 -5.6025 -0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3202 -4.4430 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8644 -4.4379 -1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6311 -4.2843 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2816 1.3195 -1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4969 -0.0881 -2.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2584 -0.8578 -0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9295 0.5120 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3559 0.7993 -2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5514 2.0368 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5944 2.4321 -0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1015 -0.2782 1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3395 -0.1928 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8410 4.1727 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4783 3.9760 0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8280 5.3497 2.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3828 2.4589 3.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 4.0827 3.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7286 -0.4034 -2.4165 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers